Substrate
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Generation 1
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Generation 2
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Generation 3
XenoSite
Acetylcaranine
CC(=O)OC1CC=C2CCN3Cc4cc5c(cc4C1C23)OCO5
CHEBI
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Description
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 1
Show metabolites
CC(=O)OC1CC=C2CCNC2C1c1cc2c(cc1C(=O)O)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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stable oxygenation
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unstable oxygenation
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dehydrogenation
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reduction
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hydrolysis
Generation 2
Show metabolites
O=C(O)c1cc2c(cc1C1C(O)CC=C3CCNC31)OCO2
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
About this model
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Generation 3
Show metabolites
O=C(O)C1=CC2=C(OCO2)C2OC12C1C(O)CC=C2CCNC21
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Phase 1
Reactivity
Epoxidation
Quinonation
N-Dealkylation
UGT Conjugation
i
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gsh
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protein
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cyanide
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dna
Generation 4
Select a metabolite to form the next generation.
glutathionation
Probability 0.23
0.23
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glutathionation
Probability 0.20
0.20
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protein
Probability 0.11
0.11
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dna
Probability 0.03
0.03
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protein
Probability 0.03
0.03
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Showing 5 of 12 metabolites
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